3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide

C24H30ClN7O — CID 53325004

About 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide

3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide (PubChem CID 53325004) has the molecular formula C24H30ClN7O and a molecular weight of 468.01 g/mol. Its IUPAC name is 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide.

Molecular Properties

• Compound Name: 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide
• PubChem CID: 53325004
• Molecular Formula: C24H30ClN7O
• Molecular Weight: 468.01 g/mol
• Exact Mass: 467.22
• IUPAC Name: 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide
• SMILES: Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(CCN)C2CCCCC2)c1
• InChI: InChI=1S/C24H30ClN7O/c1-17-11-18(14-22(12-17)31(10-9-26)21-5-3-2-4-6-21)24(33)27-15-19-13-20(25)7-8-23(19)32-16-28-29-30-32/h7-8,11-14,16,21H,2-6,9-10,15,26H2,1H3,(H,27,33)
• InChIKey: XOBWJSMTNURFSY-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 101.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.01
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide?

The IUPAC name of 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide (CID 53325004) is 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide.

What is the SMILES notation for 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide?

The canonical SMILES for 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide is Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(N(CCN)C2CCCCC2)c1.

What is the InChIKey of 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide?

The InChIKey is XOBWJSMTNURFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN7O/c1-17-11-18(14-22(12-17)31(10-9-26)21-5-3-2-4-6-21)24(33)27-15-19-13-20(25)7-8-23(19)32-16-28-29-30-32/h7-8,11-14,16,21H,2-6,9-10,15,26H2,1H3,(H,27,33).

What are the key properties of 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide?

3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide has a molecular weight of 468.01 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-aminoethyl(cyclohexyl)amino]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-5-methylbenzamide is sourced from PubChem (CID 53325004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).